SCHEMBL1959019

SCHEMBL1959019

Cc1cccc(CN2C=Cc3[nH]c(-c4ccccc4F)nc3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CLPP Q16740 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
CXCR2 P25025 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ACHE P22303 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1960349 0.88 MEN1 (0.38) MAPK14CSNK1DCSNK1EMGAMGAA
SCHEMBL1959767 0.88 CXCR2 (0.46) MGAMGAASIMGAM2CLPP
SCHEMBL1960312 0.86 TP53 (0.42) MAPK14GAACLPPALDH1A1HTT
SCHEMBL1962134 0.83 CXCR2 (0.39) MGAMGAASIMGAM2CLPP
SCHEMBL1958077 0.82 GAA (0.43) MAPK14CSNK1DCSNK1EMGAMGAA
SCHEMBL1958382 0.82 CXCR2 (0.38) MGAMGAASIMGAM2CLPP
SCHEMBL1961648 0.82 CXCR2 (0.40) MAPK14CSNK1DCSNK1EMGAMGAA
SCHEMBL1961656 0.81 KMT2A (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1961658 0.79 CXCR2 (0.38) MAPK14GAACLPPALDH1A1KDM4E
SCHEMBL1961115 0.78 CLPP (0.41) MAPK14GAACLPPALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 MAPK14 1909/4885CSNK1D 1741/4885CSNK1E 1105/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE MAPK14 1747/4885CSNK1D 455/4885CSNK1E 429/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.